1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine

C31H63N3O — CID 21359040

IUPAC1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine
SMILESCCCC1CC(C)(CC)N(COCCN2CC(C)(CC)N(C)C(C)(CC)C2(C)C)C(CC)C1(C)C
InChIInChI=1S/C31H63N3O/c1-14-19-25-22-29(10,16-3)34(26(15-2)27(25,6)7)24-35-21-20-33-23-30(11,17-4)32(13)31(12,18-5)28(33,8)9/h25-26H,14-24H2,1-13H3
InChIKeyLOOXUEPSZJRPSL-UHFFFAOYSA-N
MW493.87 g/mol
LogP7.42
Rot. Bonds11

About 1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine

1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine (PubChem CID 21359040) has the molecular formula C31H63N3O and a molecular weight of 493.87 g/mol. Its IUPAC name is 1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine.

Molecular Properties

Compound Name1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine
PubChem CID21359040
Molecular FormulaC31H63N3O
Molecular Weight493.87 g/mol
Exact Mass493.50
IUPAC Name1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine
SMILESCCCC1CC(C)(CC)N(COCCN2CC(C)(CC)N(C)C(C)(CC)C2(C)C)C(CC)C1(C)C
InChIInChI=1S/C31H63N3O/c1-14-19-25-22-29(10,16-3)34(26(15-2)27(25,6)7)24-35-21-20-33-23-30(11,17-4)32(13)31(12,18-5)28(33,8)9/h25-26H,14-24H2,1-13H3
InChIKeyLOOXUEPSZJRPSL-UHFFFAOYSA-N
XLogP7.42
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.87
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine
CID 130368590
1-[4-[3,3-Difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-(2-methoxyethyl)piperazine;ethane
CID 177178474
1-[4-[3,3-Difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,4-dimethylpentan-2-yl]-4-(2-methoxyethyl)piperazine
CID 177178475
1-(2-Methoxyethyl)-3-[4-[1-(2-methoxyethyl)piperidin-4-yl]hexyl]piperidine
CID 91435246
4-[4-[1-(3,3-Dimethylbutyl)piperidin-3-yl]-3,3-dimethylbutyl]morpholine
CID 124198932
4-[1-(1-Tert-butylpiperidin-3-yl)propan-2-yl]morpholine
CID 129027899
4-[1-(1-Tert-butylpiperidin-3-yl)-2-methylpropan-2-yl]morpholine
CID 129028216
4-[4-(1-Tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine
CID 129035483
4-[3-[1-(2,3-Dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine
CID 129146194
4-[4-[4-(4-Tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine
CID 131991575
4-[2,4,7,8-Tetramethyl-7-(morpholin-4-ylmethyl)nonan-4-yl]morpholine
CID 132122885
1-Cyclobutyl-4-[2,5-dimethyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]piperidine
CID 134184117

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine?
The IUPAC name of 1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine (CID 21359040) is 1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine.
What is the SMILES notation for 1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine?
The canonical SMILES for 1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine is CCCC1CC(C)(CC)N(COCCN2CC(C)(CC)N(C)C(C)(CC)C2(C)C)C(CC)C1(C)C.
What is the InChIKey of 1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine?
The InChIKey is LOOXUEPSZJRPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H63N3O/c1-14-19-25-22-29(10,16-3)34(26(15-2)27(25,6)7)24-35-21-20-33-23-30(11,17-4)32(13)31(12,18-5)28(33,8)9/h25-26H,14-24H2,1-13H3.
What are the key properties of 1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine?
1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine has a molecular weight of 493.87 g/mol, XLogP of 7.42, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine is sourced from PubChem (CID 21359040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).